Mol:FLIA2CGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4949 0.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4949 0.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9386 0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3823 0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3823 0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1738 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1738 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1738 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1738 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7505 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7505 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3272 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3272 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3272 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3272 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7505 0.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7505 0.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9384 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9384 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3823 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3823 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7505 -1.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7505 -1.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9036 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9036 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9036 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9036 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4549 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4549 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0063 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0063 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0063 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0063 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4549 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4549 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5988 0.7175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.5988 0.7175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.2526 0.2605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.2526 0.2605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.7540 0.4544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7540 0.4544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2344 0.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2344 0.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.6225 0.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6225 0.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1318 0.6264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.1318 0.6264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.0440 0.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0440 0.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5794 -0.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5794 -0.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4683 -0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4683 -0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6118 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6118 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9860 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9860 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6118 -0.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6118 -0.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4014 1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4014 1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3872 1.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3872 1.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6529 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6529 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6529 -0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6529 -0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 17 1 0 0 0 0 | + | 30 17 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 10 33 1 0 0 0 0 | + | 10 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -3.4014 1.3534 | + | M SVB 2 35 -3.4014 1.3534 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 37 -1.6529 0.0501 | + | M SVB 1 37 -1.6529 0.0501 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA2CGS0001 | + | ID FLIA2CGS0001 |
| − | KNApSAcK_ID C00010097 | + | KNApSAcK_ID C00010097 |
| − | NAME Fujikinetin 7-O-glucoside | + | NAME Fujikinetin 7-O-glucoside |
| − | CAS_RN 38965-67-2 | + | CAS_RN 38965-67-2 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES O(C=3)c(c1)c(C(=O)C3c(c5)cc(O4)c(c5)OC4)cc(OC)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 | + | SMILES O(C=3)c(c1)c(C(=O)C3c(c5)cc(O4)c(c5)OC4)cc(OC)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
-1.4949 0.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1738 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1738 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7505 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7505 0.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9384 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7505 -1.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9036 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9036 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4549 -1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0063 -1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0063 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4549 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5988 0.7175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2526 0.2605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7540 0.4544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2344 0.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6225 0.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1318 0.6264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.0440 0.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5794 -0.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4683 -0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6118 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6118 -0.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4014 1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3872 1.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6529 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6529 -0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 17 1 0 0 0 0
24 31 1 0 0 0 0
31 32 1 0 0 0 0
10 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -3.4014 1.3534
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 -1.6529 0.0501
S SKP 8
ID FLIA2CGS0001
KNApSAcK_ID C00010097
NAME Fujikinetin 7-O-glucoside
CAS_RN 38965-67-2
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES O(C=3)c(c1)c(C(=O)C3c(c5)cc(O4)c(c5)OC4)cc(OC)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1
M END
